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	hartrees
Energy at 0K	-528.111949
Energy at 298.15K	-528.112574
HF Energy	-528.111949
Nuclear repulsion energy	94.743264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	1132	1091	92.00	10.29	0.53	0.69
2	A'	961	926	9.35	25.00	0.23	0.37
3	A'	272	262	38.13	6.26	0.72	0.83

Atom	x (Å)	y (Å)
S1	0.000	0.359
N2	1.413	-0.264
O3	-1.236	-0.487

	S1	N2	O3
S1		1.5440	1.4982
N2	1.5440		2.6587
O3	1.4982	2.6587

Number	Element	Mulliken
1	S	0.519
2	N	-0.163
3	O	-0.356

All results from a given calculation for NSO (sulfinyl amidogen)

using model chemistry: TPSSh/TZVP

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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	x	y	z	Total
	0.212	1.531	0.000	1.545
CHELPG
AIM
ESP

	x	y	z
x	6.103	-0.027	0.000
y	-0.027	2.922	0.000
z	0.000	0.000	2.105

<r²>	45.860
(<r²>)^1/2	6.772